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Molecule : M3J

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C14H11BrN4/c15-9-6-7-12-11(8-9)13(16)19-14(18-12)17-10-4-2-1-3-5-10/h1-8H,(H3,16,17,18,19)
2	InChIKey	InChI	1.03	MPGNABXYXOGUGH-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	c3cc(Nc2nc1ccc(Br)cc1c(N)n2)ccc3
4	SMILES	CACTVS	3.385	Nc1nc(Nc2ccccc2)nc3ccc(Br)cc13
5	SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Nc2nc3ccc(cc3c(n2)N)Br
6	Canonical SMILES	CACTVS	3.385	Nc1nc(Nc2ccccc2)nc3ccc(Br)cc13
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Nc2nc3ccc(cc3c(n2)N)Br